APPLICATION OF ONE-PARTICLE GREEN-FUNCTIONS TECHNIQUE FOR CALCULATION OF VERTICAL IONIZATION-POTENTIALS OF CLOSED-SHELL MOLECULES DESCRIBED BY CNDO/2 SEMIEMPIRICAL HAMILTONIAN

被引:13
作者
BISKUPIC, S
VALKO, L
KVASNICKA, V
机构
[1] SLOVAK UNIV TECHNOL BRATISLAVA, DEPT PHYS CHEM, JANSKA 1, 88037 BRATISLAVA, CZECHOSLOVAKIA
[2] SLOVAK UNIV TECHNOL BRATISLAVA, DEPT ORG CHEM, 88037 BRATISLAVA, CZECHOSLOVAKIA
来源
THEORETICA CHIMICA ACTA | 1975年 / 38卷 / 02期
关键词
D O I
10.1007/BF00581472
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
引用
收藏
页码:149 / 157
页数:9
相关论文
共 33 条
[1]  
ALBAT R, 1972, Z NATURFORSCH PT A, VA 27, P545
[2]  
Barrett B. R., 1973, ADV NUCL PHYS, V6, P219
[3]   SUR LA DETERMINATION DES PREMIERS ETATS DUN SYSTEME DE FERMIONS DANS LE CAS DEGENERE [J].
BLOCH, C ;
HOROWITZ, J .
NUCLEAR PHYSICS, 1958, 8 (01) :91-105
[4]   GROUND STATES OF SIGMA-BONDED MOLECULES .10.EXTENSION OF MINDO/2 METHOD TO COMPOUNDS CONTAINING NITROGEN AND/OR OXYGEN [J].
BODOR, N ;
DEWAR, MJS ;
HARGET, A ;
HASELBACH, E .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1970, 92 (13) :3854-+
[5]   LINKED-CLUSTER EXPANSIONS FOR NUCLEAR MANY-BODY PROBLEM [J].
BRANDOW, BH .
REVIEWS OF MODERN PHYSICS, 1967, 39 (04) :771-&
[6]   COMPACT-CLUSTER EXPANSION .2. FINITE NUCLEI [J].
BRANDOW, BH .
ANNALS OF PHYSICS, 1970, 57 (01) :214-&
[7]   CALCULATION OF VERTICAL IONIZATION POTENTIALS OF FORMALDEHYDE BY MEANS OF PERTURBATION THEORY [J].
CEDERBAUM, LS ;
HOHLNEIC.G ;
PEYERIMH.S .
CHEMICAL PHYSICS LETTERS, 1971, 11 (04) :421-+
[8]   IMPROVED CALCULATIONS OF IONIZATION-POTENTIALS OF CLOSED-SHELL MOLECULES [J].
CEDERBAUM, LS ;
HOHLNEICHER, G ;
NIESSEN, WV .
MOLECULAR PHYSICS, 1973, 26 (06) :1405-1424
[9]   BREAKDOWN OF KOOPMANS THEOREM FOR NITROGEN [J].
CEDERBAUM, LS ;
HOHLNEICHER, G ;
NIESSEN, W .
CHEMICAL PHYSICS LETTERS, 1973, 18 (04) :503-508
[10]   DIRECT CALCULATION OF IONIZATION POTENTIALS OF CLOSED-SHELL ATOMS AND MOLECULES [J].
CEDERBAUM, LS .
THEORETICA CHIMICA ACTA, 1973, 31 (03) :239-260